SCHEMBL9746492

SCHEMBL9746492

Cc1cn2cccc(NCc3ccccc3C)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CYP3A4 P08684 3/20 0.48
CYP2C9 P11712 3/20 0.48
BRD4 O60885 2/20 0.45
BRD9 Q9H8M2 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
KAT2B Q92831 1/20 0.43
LMNA P02545 1/20 0.43
DCTPP1 Q9H773 1/20 0.42
TP53 P04637 2/20 0.42
HSD17B10 Q99714 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9746957 0.86 TP53 (0.45) NPC1RAB9ASMN1; SMN2CYP3A4CYP2C19
SCHEMBL6354989 0.86 CYP3A4 (0.49) NPC1RAB9ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL8561058 0.79 CYP3A4 (0.42) NPC1RAB9ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL6350701 0.79 CYP3A4 (0.41) NPC1RAB9ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL3971488 0.76 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL9749030 0.75 PSEN1 (0.53) NPC1RAB9ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL18761547 0.74 MAPT (0.70) NPC1RAB9ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL14679607 0.73 ALDH1A1 (0.39) NPC1RAB9ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL2315975 0.72 NPC1 (0.38) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL10916520 0.72 NPC1 (0.39) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0204285-B1 IMIDAZOHETEROCYCLIC COMPOUNDS PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-01-15 EP disclosed
US-4725601-A Certain imidazo[1,2-a]pyridines useful in the treatment of ulcers FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-02-16 US disclosed
EP-0204285-A1 Imidazoheterocyclic compounds processes for preparation thereof and pharmaceutical compositions comprising them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-12-10 EP disclosed